Search Results - Nicklass, Andreas

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  1. 1
    The accuracy of the pseudopotential approximation. II. A comparison of various core sizes for indium pseudopotentials in calculations for spectroscopic constants of InH, InF, and InCl

    The accuracy of the pseudopotential approximation. II. A comparison of various core sizes for indium pseudopotentials in calculations for spectroscopic constants of InH, InF, and I... by Leininger, Thierry, Nicklass, Andreas, Stoll, Hermann, Dolg, Michael, Schwerdtfeger, Peter

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  2. 2
    Spin-orbit interaction in heavy group 13 atoms and TlAr

    Spin-orbit interaction in heavy group 13 atoms and TlAr by Leininger, Thierry, Berning, Andreas, Nicklass, Andreas, Stoll, Hermann, Werner, Hans-Joachim, Flad, Heinz-Jürgen

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  3. 3
    Ab initio energy-adjusted pseudopotentials for the noble gases Ne through Xe: Calculation of atomic dipole and quadrupole polarizabilities

    Ab initio energy-adjusted pseudopotentials for the noble gases Ne through Xe: Calculation of atomic dipole and quadrupole polarizabilities by Nicklass, Andreas, Dolg, Michael, Stoll, Hermann, Preuss, Heinzwerner

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  4. 4
    The accuracy of the pseudopotential approximation: non-frozen-core effects for spectroscopic constants of alkali fluorides XF (X = K, Rb, Cs)

    The accuracy of the pseudopotential approximation: non-frozen-core effects for spectroscopic constants of alkali fluorides XF (X = K, Rb, Cs) by Leininger, Thierry, Nicklass, Andreas, Küchle, Wolfgang, Stoll, Hermann, Dolg, Michael, Bergner, Andreas

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  5. 5
    Convergence of Breit–Pauli spin–orbit matrix elements with basis set size and configuration interaction space: The halogen atoms F, Cl, and Br

    Convergence of Breit–Pauli spin–orbit matrix elements with basis set size and configuration interaction space: The halogen atoms F, Cl, and Br by Nicklass, Andreas, Peterson, Kirk A., Berning, Andreas, Werner, Hans-Joachim, Knowles, Peter J.

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  6. 6
    The accuracy of the pseudopotential approximation. I. An analysis of the spectroscopic constants for the electronic ground states of InCl and InCl3 using various three valence electron pseudopotentials for indium

    The accuracy of the pseudopotential approximation. I. An analysis of the spectroscopic constants for the electronic ground states of InCl and InCl3 using various three valence elec... by Schwerdtfeger, Peter, Fischer, Thomas, Dolg, Michael, Igel-Mann, Gudrun, Nicklass, Andreas, Stoll, Hermann, Haaland, Arne

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  7. 7
    Core-valence correlation effects for molecules containing first-row atoms. Accurate results using effective core polarization potentials

    Core-valence correlation effects for molecules containing first-row atoms. Accurate results using effective core polarization potentials by Nicklass, Andreas, Peterson, Kirk A.

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  8. 8
    On the dipole moment of PbO

    On the dipole moment of PbO by DOLG, M, NICKLASS, A, STOLL, H

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  9. 9
    A systematic study on the fixed-node and localization error in quantum Monte Carlo calculations with pseudopotentials for group III elements

    A systematic study on the fixed-node and localization error in quantum Monte Carlo calculations with pseudopotentials for group III elements by Flad, Heinz-Jürgen, Savin, Andreas, Schultheiss, Martin, Nicklass, Andreas, Preuss, Heinzwerner

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